N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide

C20H15Cl2N3O2 — CID 108525447

IUPACN-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H15Cl2N3O2/c21-13-10-14(22)12-18(11-13)25-20(27)19(26)24-17-8-6-16(7-9-17)23-15-4-2-1-3-5-15/h1-12,23H,(H,24,26)(H,25,27)
InChIKeyCCDZUYRDYMVEPU-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.31
Rot. Bonds4

About N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide

N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide (PubChem CID 108525447) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
PubChem CID108525447
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC NameN-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H15Cl2N3O2/c21-13-10-14(22)12-18(11-13)25-20(27)19(26)24-17-8-6-16(7-9-17)23-15-4-2-1-3-5-15/h1-12,23H,(H,24,26)(H,25,27)
InChIKeyCCDZUYRDYMVEPU-UHFFFAOYSA-N
XLogP5.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
N'-(3,5-dichlorophenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502099
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527910
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
N'-(3,5-dichlorophenyl)-N-(2-fluorophenyl)oxamide
CID 108520851
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 4862754

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide?
The IUPAC name of N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide (CID 108525447) is N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide.
What is the SMILES notation for N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide?
The canonical SMILES for N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide?
The InChIKey is CCDZUYRDYMVEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c21-13-10-14(22)12-18(11-13)25-20(27)19(26)24-17-8-6-16(7-9-17)23-15-4-2-1-3-5-15/h1-12,23H,(H,24,26)(H,25,27).
What are the key properties of N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide?
N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide has a molecular weight of 400.27 g/mol, XLogP of 5.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide is sourced from PubChem (CID 108525447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).